SCHEMBL2316426

SCHEMBL2316426

COc1ccc(OC)c(CCC(=O)N2CCc3nc4ccccc4c(C(=O)N4CCN(C)CC4)c3C2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.48
▸ POLB P06746 4/20 0.48
▸ MAPT P10636 3/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ LMNA P02545 4/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ HTT P42858 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ PDE5A O76074 1/20 0.42
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ HPGD P15428 2/20 0.41
▸ PTGDR2 Q9Y5Y4 3/20 0.41
▸ TP53 P04637 2/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ GAA P10253 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2320894 0.92 ALDH1A1 (0.47) ALDH1A1POLBMAPTL3MBTL1CYP1A2
SCHEMBL2320811 0.83 MAPK1 (0.41) ALDH1A1POLBMAPTL3MBTL1CYP1A2
SCHEMBL2321540 0.82 MAPK1 (0.48) ALDH1A1POLBLMNAHTTNPSR1
SCHEMBL2321191 0.80 ALDH1A1 (0.48) ALDH1A1POLBMAPTL3MBTL1CYP1A2
SCHEMBL2317901 0.79 ALDH1A1 (0.48) ALDH1A1POLBMAPTL3MBTL1CYP1A2
SCHEMBL13504051 0.76 MEN1 (0.59) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL2317218 0.76 MAPT (0.45) ALDH1A1MAPTLMNAKDM4EHTT
SCHEMBL2320028 0.73 MEN1 (0.39) ALDH1A1MAPTLMNAKDM4EHTT
SCHEMBL2322437 0.73 FKBP1A (0.55) ALDH1A1LMNAMEN1KMT2ATP53
SCHEMBL2448301 0.72 POLB (0.59) ALDH1A1POLBMAPTL3MBTL1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230471-A1 BENZONAPHTYRIDINE COMPOUNDS AS INHIBITORS OF AUTOTAXIN MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-09-22 — — US claimed
US-20110230471-A1 BENZONAPHTYRIDINE COMPOUNDS AS INHIBITORS OF AUTOTAXIN MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-09-22 — — US disclosed
US-20110230471-A1 BENZONAPHTYRIDINE COMPOUNDS AS INHIBITORS OF AUTOTAXIN MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-09-22 — — US disclosed
US-20110230471-A1 BENZONAPHTYRIDINE COMPOUNDS AS INHIBITORS OF AUTOTAXIN MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-09-22 — — US disclosed
EP-2352733-A1 BENZONAPHTYRIDINE COMPOUNDS USED AS INHIBITORS OF AUTOTAXIN Merck Patent GmbH (DE) 2011-08-10 — — EP disclosed
WO-2010060532-A1 BENZONAPHTYRIDINE COMPOUNDS USED AS INHIBITORS OF AUTOTAXIN MERCK PATENT GMBH (DE) 2010-06-03 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110230471-A1 BENZONAPHTYRIDINE COMPOUNDS AS INHIBITORS OF AUTOTAXIN ENPP2, TPX2, TPD52L2 ALDH1A1 4584/4885POLB 3834/4885MAPT 2887/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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